Merge branch 'qiskit-community:main' into mpo

.github/workflows/build-and-release.yml

@@ -24,8 +24,9 @@ jobs:
       - name: Build wheels
         uses: pypa/[email protected]
 
-      - uses: actions/upload-artifact@v3
+      - uses: actions/upload-artifact@v4
         with:
+          name: wheel-${{ matrix.os }}
           path: ./wheelhouse/*.whl
 
   build_sdist:
@@ -37,8 +38,9 @@ jobs:
       - name: Build sdist
         run: pipx run build --sdist
 
-      - uses: actions/upload-artifact@v3
+      - uses: actions/upload-artifact@v4
         with:
+          name: sdist
           path: dist/*.tar.gz
 
   upload_pypi:
@@ -51,11 +53,15 @@ jobs:
     # or, alternatively, upload to PyPI on every tag starting with 'v' (remove on: release above to use this)
     # if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
     steps:
-      - uses: actions/download-artifact@v3
+      - uses: actions/download-artifact@v4
         with:
-          # unpacks default artifact into dist/
-          # if `name: artifact` is omitted, the action will create extra parent dir
-          name: artifact
+          pattern: wheel-*
+          path: dist
+          merge-multiple: true
+
+      - uses: actions/download-artifact@v4
+        with:
+          name: sdist
           path: dist
 
       - uses: pypa/gh-action-pypi-publish@release/v1

python/ffsim/random/random.py

@@ -584,22 +584,24 @@ def random_ucj_op_spinless(
 
 
 def random_diagonal_coulomb_hamiltonian(
-    norb: int, *, seed=None
+    norb: int, *, real: bool = False, seed=None
 ) -> hamiltonians.DiagonalCoulombHamiltonian:
     """Sample a random diagonal Coulomb Hamiltonian.
 
     Args:
         norb: The number of spatial orbitals.
-        rank: The desired number of terms in the two-body part of the Hamiltonian.
-            If not specified, it will be set to ``norb * (norb + 1) // 2``.
+        real: Whether to sample a real-valued object rather than a complex-valued one.
         seed: A seed to initialize the pseudorandom number generator.
             Should be a valid input to ``np.random.default_rng``.
 
     Returns:
         The sampled diagonal Coulomb Hamiltonian.
     """
     rng = np.random.default_rng(seed)
-    one_body_tensor = random_hermitian(norb, seed=rng)
+    if real:
+        one_body_tensor = random_real_symmetric_matrix(norb, seed=rng)
+    else:
+        one_body_tensor = random_hermitian(norb, seed=rng)
     diag_coulomb_mat_a = random_real_symmetric_matrix(norb, seed=rng)
     diag_coulomb_mat_b = random_real_symmetric_matrix(norb, seed=rng)
     diag_coulomb_mats = np.stack([diag_coulomb_mat_a, diag_coulomb_mat_b])

tests/python/random_test.py

@@ -167,6 +167,17 @@ def test_random_density_matrix(dim: int):
     np.testing.assert_allclose(np.trace(mat), 1)
 
 
+def test_random_diagonal_coulomb_hamiltonian():
+    """Test random diagonal Coulomb Hamiltonian."""
+    norb = 5
+
+    dc_ham = ffsim.random.random_diagonal_coulomb_hamiltonian(norb, seed=rng)
+    assert dc_ham.one_body_tensor.dtype == complex
+
+    dc_ham = ffsim.random.random_diagonal_coulomb_hamiltonian(norb, seed=rng, real=True)
+    assert dc_ham.one_body_tensor.dtype == float
+
+
 def test_raise_errors():
     """Test errors are raised as expected."""
     with pytest.raises(ValueError, match="Dimension"):